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DocumentationIdentifier: MM198596
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM198596 |
| SMILES |
CCCOC(CN)CN
|
| InChIKey |
MQACCWNZTCWMQO-UHFFFAOYSA-N
|
| MW [Da] |
132.21
Automatically obtained from RDkit software. |
| LogP |
-0.3
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
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| Tanimoto metric | 0.8772 |
|---|---|
| Cosine metric | 0.9366 |
| Dice metric | 0.9346 |
| MW: | 117.19 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 0.76 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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Total passive interactions
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| LogP: | -1.36 |
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Total active interactions
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| Tanimoto metric | 0.8507 |
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||||
|---|---|---|---|---|---|
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Total passive interactions
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| LogP: | -1.33 |
||||
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Total active interactions
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+391 more
